3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid

C8H15N3O4 — CID 43466326

IUPAC3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)NC(=O)CCNCCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-9-8(15)11-6(12)2-4-10-5-3-7(13)14/h10H,2-5H2,1H3,(H,13,14)(H2,9,11,12,15)
InChIKeySLWOUEVXSKGCLF-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.10
Rot. Bonds6

About 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid

3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid (PubChem CID 43466326) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid
PubChem CID43466326
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)NC(=O)CCNCCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-9-8(15)11-6(12)2-4-10-5-3-7(13)14/h10H,2-5H2,1H3,(H,13,14)(H2,9,11,12,15)
InChIKeySLWOUEVXSKGCLF-UHFFFAOYSA-N
XLogP-1.10
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
N-(methylcarbamoyl)butanamide
CID 12936929
4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
CID 55006167
3-methyl-2-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
CID 43468682
ethane;3-(propylamino)propanoic acid
CID 145416081
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid
CID 43091420
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
CID 172719967
CID 172719967
3-(2-iodoethylamino)propanoic acid
CID 121405538
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid (CID 43466326) is 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid is CNC(=O)NC(=O)CCNCCC(=O)O.
What is the InChIKey of 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is SLWOUEVXSKGCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-9-8(15)11-6(12)2-4-10-5-3-7(13)14/h10H,2-5H2,1H3,(H,13,14)(H2,9,11,12,15).
What are the key properties of 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid?
3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 43466326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).